3-triphenylgermyl-3-phenylpropanoic acid | 146139-04-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-triphenylgermyl-3-phenylpropanoic acid
• 英文别名: 3-Phenyl-3-triphenylgermylpropanoic acid
• CAS: 146139-04-0
• 化学式: C₂₇H₂₄GeO₂
• 分子量: 453.076
• InChiKey: IOCZEXIQLQXRHG-UHFFFAOYSA-N

物化性质

• 沸点：
  561.4±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-triphenylgermyl-3-phenylpropanoic acid 、 tris-(m-tolyl)antimony(V) dibromide 在 triethylamine 作用下， 以 甲苯 为溶剂， 以64.7%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and antitumor activity of some arylantimony triphenylgermanylpropionates and crystal structures of Ph3GeCH(Ph)CH2CO2SbPh4 and [Ph3GeCH2CH(CH3)CO2]2Sb(4-ClC6H4)3

  摘要：

  A series of novel arylantimony(V) triphenylgermanylpropionates with the formula ((Ph3GeCHRCHRCO2)-C-1-C-2)(n)SbAr(5-n) (R-1 = H, Ph; R-2 =H, CH3; n = 1, 2) were synthesized and characterized by elemental analysis, IR, H-1-NMR, C-13-NMR and mass spectroscopy. The crystal structures of Ph3GeCH(Ph)CH2CO2SbPh4 and [Ph3GeCH2CH(CH3)CO2](2)Sb(4-ClC6H4)(3) were determined by X-ray diffraction. The in vitro antitumor activities of some selected compounds against five cancer cells are reported. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00799-3
• 作为产物：
  描述：

  3-phenyl-3-(trichlorogermyl)butanoic acid 、 苯基溴化镁 以 四氢呋喃 为溶剂， 生成 3-triphenylgermyl-3-phenylpropanoic acid
  参考文献：
  名称：

  Synthesis, Spectral (FT‐IR, ¹H, ¹³C, ¹¹⁹Sn) and Biological Studies of Bimetallic Trimethyltin(IV) Germapropionates: X‐Ray Structure of (CH₃)₃Sn(C₂₂H₂₁O₂Ge)

  摘要：

  New compounds of bimetallic trimethyltin(IV) germapropionates have been synthesized and characterized by elemental analyses, FT-IR, and multinuclear nmr (H-1,C-13,Sn-119) spectroscopies. These compounds show four-coordinated structure in solution and penta-coordinated structure in solid state. The crystal structure of representative compound, (CH3)(3)Sn(C-22 H-21 O-2 Ge), shows one dimensional polymeric penta-coordinated structure in its solid state. The synthesized compounds were subjected for a bioassay screening and show promising antibacterial and antifungal activities.

  DOI：

  10.1080/15533170701301470
• 作为试剂：
  描述：

  potassium thioacyanate 、 丙酮 、 2,4,6-三氯苯胺 在 氯化亚砜 、 3-triphenylgermyl-3-phenylpropanoic acid 作用下， 反应 1.0h， 以92%的产率得到1-(2,4,6-trichlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione
  参考文献：
  名称：

  以三苯基锗烷为催化剂 的一锅多组分二氢嘧啶-2（1 H）-硫酮衍生物的简便合成及其结合模式验证†

  摘要：

  一系列取代的二氢嘧啶-2（1 H）-硫酮衍生物（1-8）已使用丙酸三苯甲基锗酯作为催化剂，通过简便易行的合成方法合成。与经典的Biginelli反应相比，该新方案具有优异的收率和较短的反应时间的优点。合成的化合物已通过多种光谱技术进行了表征，例如FT-IR，多核（1 H / 13 C）NMR光谱和单晶XRD分析。进行了分子对接研究，以确定在人类拓扑异构酶IIα（4FM9）和幽门螺杆菌脲酶（1E9Y）酶的活性位点中强效抑制剂的可能结合方式。化合物根据分子对接分数和分子动力学模拟，发现3是最有效的抑制剂，这表明可以将其进一步加工为先导分子以解释这些化合物的药理特性。

  DOI：

  10.1039/c6ra19162b

文献信息

• Synthesis and structural characterization of several tris(2-methyl-2-phenylpropyl)tin carboxylates containing germanium
  作者：Xiaoniu Fang、Xueqing Song、Qinglan Xie

  DOI：10.1016/s0022-328x(00)00542-8

  日期：2001.1

  Thirteen tris(2-methyl-2-phenylpropyl)tin germylpropionates have been synthesized and their structures characterized by elemental analysis, IR, multinuclear NMR (1H, 13C, 119Sn) and MS spectroscopies. The structure of (PhC(CH3)2CH2)3SnO2CCH2CH(o-C6H4Cl)GePh3 has been determined by X-ray diffraction study, which indicated that the tin in the compound possess a tetrahedral geometry. Bioassay results

  合成了十三种三（2-甲基-2-苯基丙基）锡三甲基丙酸酯，并通过元素分析，IR，多核NMR（1 H，13 C，119 Sn）和MS光谱学对其结构进行了表征。通过X射线衍射研究确定了（PhC（CH 3）2 CH 2）3 SnO 2 CCH 2 CH（o -C 6 H 4 Cl）GePh 3的结构，表明该化合物中的锡具有四面体几何。生物测定结果表明，某些化合物具有良好的杀螨活性。
• Synthesis, structures and in vitro antitumor activity of some germanium-substituted di-n-butyltin dipropionates
  作者：Song Xueqing、Yang Zhiqiang、Xie Qinglan、Li Jinshan

  DOI：10.1016/s0022-328x(98)00607-x

  日期：1998.9
• Synthesis, characterization and in vitro antitumor activity of some arylbismuth triphenylgermylpropionates and crystal structures of (4-BrC6H4)3Bi(O2CCH2CH2GePh3)2 and (4-BrC6H4)3Bi[O2CCH(CH3)CH2GePh3]2
  作者：Lin Yu、Yong-Qiang Ma、Guo-Cang Wang、Jin-Shan Li、Guan-Hua Du、Juan-Juan Hu

  DOI：10.1016/s0022-328x(03)00547-3

  日期：2003.8

  A series of novel arylbismuth(V) triphenylgermylpropionates with the formula Ar3Bi((O2CCHRCHRGePh3)-C-1-Ge-2)(2) (R-1 = H, CH3; R-2 = H, Ph; Ar = Ph, 4-CH3C6H4, 4-FC6H4, 4-ClC6H4, 4-BrC6H4) were synthesized and characterized by elemental analysis, IR, H-1-NMR and mass spectroscopy. The crystal structures of (4-BrC6H4)(3)Bi(O2CCH2CH2GePh3)(2) and (4-BrC6H4)(3)Bi[O2CCH(CH3)CH2GePh3](2) were determined by X-ray diffraction. Three human neoplastic cell lines (HCT-8, Bel-7402 and KB) were used to screen these compounds. The results indicate that some compounds at 5 muM show good in vitro antitumor activities. (C) 2003 Elsevier B.V. All rights reserved.